compound 0093412

Properties Image MNX_ID MNXM1187521 reference envipathM:...fad244f5aefd formula C12H9Cl5O6 global charge 0 mol weight 426.463 InChIKey WTXUSKAHAHAXKQ-UHFFFAOYSA-N InChI InChI=1S/C12H9Cl5O6/c13-7-6-9-10(21,11(15,8(7)14)12(6,16)17)3(1-4(19)23-9)22-5(20)2-18/h3,6,9,18,21H,1-2H2 SMILES O=C(CO)OC1CC(=O)OC2C3C(Cl)=C(Cl)C(Cl)(C3(Cl)Cl)C12O MNX internals InChI (mnx) InChI=1/C12H9Cl5O6/c13-7-6-9-10(21,11(15,8(7)14)12(6,16)17)3(1-4(19)23-9)22-5(20)2-18/h3,6,9,18,21H,1-2H2/t3?,6?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:3]([O:22][C:5]([CH2:2][OH:18])=[O:20])[C:10]2([OH:21])[CH:9]([CH:6]3[C:7]([Cl:13])=[C:8]([Cl:14])[C:11]2([Cl:15])[C:12]3([Cl:16])[Cl:17])[O:23][C:4]1=[O:19]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0